NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25247 |
2k78   |
15913 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!
! These Phi and Psi constraints are based on the results of TALOS
! only for residues with 'Good' status.
!
! The center value is the avergae of TALOS predictions.
!
! The range of constrains are three times of standard deviation
! of TALOS predictions. But if such a value is smaller than 20
! degree, the range is set to 20 degree.
! J.I.
!
!S28 (TALOS: Phi -141.0 +/- 16.0 , TALOS: Psi 161.0 +/- 14.0 )
assign (resid 27 and name C) (resid 28 and name N)
(resid 28 and name CA) (resid 28 and name C) 1.0 -141.0 48.0 2
assign (resid 28 and name N) (resid 28 and name CA)
(resid 28 and name C) (resid 29 and name N) 1.0 161.0 42.0 2
!T30 (TALOS: Phi -126.0 +/- 15.0 , TALOS: Psi 141.0 +/- 16.0 )
assign (resid 29 and name C) (resid 30 and name N)
(resid 30 and name CA) (resid 30 and name C) 1.0 -126.0 45.0 2
assign (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name C) (resid 31 and name N) 1.0 141.0 48.0 2
!L31 (TALOS: Phi -123.0 +/- 17.0 , TALOS: Psi 128.0 +/- 10.0 )
assign (resid 30 and name C) (resid 31 and name N)
(resid 31 and name CA) (resid 31 and name C) 1.0 -123.0 51.0 2
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name C) (resid 32 and name N) 1.0 128.0 30.0 2
!N32 (TALOS: Phi -103.0 +/- 19.0 , TALOS: Psi 129.0 +/- 10.0 )
assign (resid 31 and name C) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -103.0 57.0 2
assign (resid 32 and name N) (resid 32 and name CA)
(resid 32 and name C) (resid 33 and name N) 1.0 129.0 30.0 2
!Y33 (TALOS: Phi -139.0 +/- 20.0 , TALOS: Psi 156.0 +/- 12.0 )
assign (resid 32 and name C) (resid 33 and name N)
(resid 33 and name CA) (resid 33 and name C) 1.0 -139.0 60.0 2
assign (resid 33 and name N) (resid 33 and name CA)
(resid 33 and name C) (resid 34 and name N) 1.0 156.0 36.0 2
!E34 (TALOS: Phi -141.0 +/- 9.0 , TALOS: Psi 146.0 +/- 16.0 )
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -141.0 27.0 2
assign (resid 34 and name N) (resid 34 and name CA)
(resid 34 and name C) (resid 35 and name N) 1.0 146.0 48.0 2
!V35 (TALOS: Phi -117.6 +/- 26.3 , TALOS: Psi 127.0 +/- 21.8 )
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1.0 -117.6 78.8 2
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name C) (resid 36 and name N) 1.0 127.0 65.4 2
!Y36 (TALOS: Phi -109.2 +/- 16.2 , TALOS: Psi 129.6 +/- 21.9 )
assign (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1.0 -109.2 48.8 2
assign (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name C) (resid 37 and name N) 1.0 129.6 65.8 2
!K37 (TALOS: Phi -88.2 +/- 11.8 , TALOS: Psi 124.4 +/- 18.3 )
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -88.2 35.5 2
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name C) (resid 38 and name N) 1.0 124.4 54.8 2
!N39
assign (resid 38 and name C) (resid 39 and name N)
(resid 39 and name CA) (resid 39 and name C) 1.0 60.0 40.0 2
!T40 (TALOS: Phi -127.0 +/- 22.0 , TALOS: Psi 166.0 +/- 18.0 )
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -127.0 66.0 2
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name C) (resid 41 and name N) 1.0 166.0 54.0 2
!D42 (0706 90% in conformer and xtal)
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name C) (resid 43 and name N) 1.0 120.0 60.0 2
!T43 (TALOS: Phi -84.0 +/- 14.0 , TALOS: Psi 129.0 +/- 10.0 )
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -84.0 42.0 2
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name C) (resid 44 and name N) 1.0 129.0 30.0 2
!S44 (TALOS: Phi -99.0 +/- 8.0 , TALOS: Psi 15.0 +/- 6.0 )
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -99.0 30.0 2
!Psi loosened from 20 to 30 change all?
assign (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name C) (resid 45 and name N) 1.0 15.0 30.0 2
!I45 (set phi to negative 0705)
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -90.0 45.0 2
!A46 (TALOS: Phi -75.5 +/- 8.6 , TALOS: Psi -33.2 +/- 17.2 )
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1.0 -75.5 30.0 2
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name C) (resid 47 and name N) 1.0 -33.2 51.5 2
!N47 (TALOS: Phi -67.9 +/- 14.7 , TALOS: Psi -39.3 +/- 9.1 )
assign (resid 46 and name C) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1.0 -67.9 44.0 2
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name C) (resid 48 and name N) 1.0 -39.3 30.0 2
!D48 (TALOS: Phi -71.7 +/- 10.1 , TALOS: Psi -24.3 +/- 13.1 )
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -71.7 30.4 2
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name C) (resid 49 and name N) 1.0 -24.3 39.2 2
!Y49
assign (resid 48 and name C) (resid 49 and name N)
(resid 49 and name CA) (resid 49 and name C) 1.0 -120 100 2
!F50 (TALOS: Phi -90.0 +/- 14.0 , TALOS: Psi 122.0 +/- 18.0 )
assign (resid 49 and name C) (resid 50 and name N)
(resid 50 and name CA) (resid 50 and name C) 1.0 -90.0 42.0 2
assign (resid 50 and name N) (resid 50 and name CA)
(resid 50 and name C) (resid 51 and name N) 1.0 122.0 54.0 2
!N51 (TALOS: Phi -79.3 +/- 17.4 , TALOS: Psi 124.9 +/- 12.6 )
assign (resid 50 and name C) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1.0 -79.3 52.1 2
!Tighned to 140(40) 71607:Changed tolerance to 40
assign (resid 51 and name N) (resid 51 and name CA)
! (resid 51 and name C) (resid 52 and name N) 1.0 124.9 37.8 2
(resid 51 and name C) (resid 52 and name N) 1.0 140.0 42.0 2
!K52 (TALOS: Phi -102.8 +/- 28.6 , TALOS: Psi 146.0 +/- 26.6 )
assign (resid 51 and name C) (resid 52 and name N)
(resid 52 and name CA) (resid 52 and name C) 1.0 -102.8 85.9 2
!Tighned to 160(40)
assign (resid 52 and name N) (resid 52 and name CA)
! (resid 52 and name C) (resid 53 and name N) 1.0 146.0 79.7 2
(resid 52 and name C) (resid 53 and name N) 1.0 160.0 40.0 2
!P53 (TALOS: Phi -75.0 +/- 33.0 , TALOS: Psi 154.0 +/- 10.0 )
assign (resid 52 and name C) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1.0 -75.0 99.0 2
assign (resid 53 and name N) (resid 53 and name CA)
(resid 53 and name C) (resid 54 and name N) 1.0 154.0 30.0 2
!A54 (TALOS: Phi -124.5 +/- 16.9 , TALOS: Psi 144.3 +/- 14.5 )
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -124.5 50.7 2
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name C) (resid 55 and name N) 1.0 144.3 43.4 2
!Y56 (TALOS: Phi -136.4 +/- 15.0 , TALOS: Psi 143.9 +/- 11.0 )
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -136.4 44.9 2
assign (resid 56 and name N) (resid 56 and name CA)
(resid 56 and name C) (resid 57 and name N) 1.0 143.9 33.1 2
!I57 (TALOS: Phi -133.6 +/- 15.0 , TALOS: Psi 135.8 +/- 10.3 )
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -133.6 45.0 2
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name C) (resid 58 and name N) 1.0 135.8 30.9 2
!K58 (TALOS: Phi -118.5 +/- 19.8 , TALOS: Psi 133.3 +/- 13.4 )
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -118.5 59.3 2
assign (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name C) (resid 59 and name N) 1.0 133.3 40.2 2
!K59 (TALOS: Phi -134.9 +/- 31.6 , TALOS: Psi 127.3 +/- 21.6 )
assign (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1.0 -134.9 94.9 2
assign (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name C) (resid 60 and name N) 1.0 127.3 64.7 2
!N60
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 60 30 2
!G61 (+Phi 9/7/07)
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1.0 60.0 40.0 2
!K62 (TALOS: Phi -116.0 +/- 19.0 , TALOS: Psi 161.0 +/- 20.0 )
assign (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1.0 -116.0 57.0 2
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name C) (resid 63 and name N) 1.0 161.0 60.0 2
!L63 (TALOS: Phi -111.8 +/- 23.4 , TALOS: Psi 138.1 +/- 12.6 )
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1.0 -111.8 70.1 2
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name C) (resid 64 and name N) 1.0 138.1 37.7 2
!Y64 (TALOS: Phi -119.6 +/- 12.8 , TALOS: Psi 149.9 +/- 19.9 )
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -119.6 38.4 2
assign (resid 64 and name N) (resid 64 and name CA)
(resid 64 and name C) (resid 65 and name N) 1.0 149.9 59.8 2
!V65 (TALOS: Phi -135.8 +/- 11.4 , TALOS: Psi 151.1 +/- 13.0 )
assign (resid 64 and name C) (resid 65 and name N)
(resid 65 and name CA) (resid 65 and name C) 1.0 -135.8 34.1 2
assign (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name C) (resid 66 and name N) 1.0 151.1 38.9 2
!Q66 (TALOS: Phi -113.3 +/- 5.6 , TALOS: Psi 135.8 +/- 15.8 )
assign (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1.0 -113.3 30.0 2
assign (resid 66 and name N) (resid 66 and name CA)
(resid 66 and name C) (resid 67 and name N) 1.0 135.8 47.5 2
!I67 (TALOS: Phi -117.1 +/- 24.4 , TALOS: Psi 127.4 +/- 7.0 )
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1.0 -117.1 73.3 2
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name C) (resid 68 and name N) 1.0 127.4 20.9 2
!T68 (TALOS: Phi -109.9 +/- 8.7 , TALOS: Psi 135.8 +/- 7.8 )
assign (resid 67 and name C) (resid 68 and name N)
(resid 68 and name CA) (resid 68 and name C) 1.0 -109.9 26.2 2
assign (resid 68 and name N) (resid 68 and name CA)
(resid 68 and name C) (resid 69 and name N) 1.0 135.8 23.3 2
!V69 (TALOS: Phi -127.4 +/- 16.4 , TALOS: Psi 142.1 +/- 13.7 )
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1.0 -127.4 49.1 2
assign (resid 69 and name N) (resid 69 and name CA)
(resid 69 and name C) (resid 70 and name N) 1.0 142.1 41.2 2
!N70 (TALOS: Phi -129.3 +/- 28.5 , TALOS: Psi 153.1 +/- 8.7 )
assign (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1.0 -129.3 85.4 2
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name C) (resid 71 and name N) 1.0 153.1 26.1 2
!H71 (0706 Set to +Phi from xtal) (correct?)
assign (resid 70 and name C) (resid 71 and name N)
(resid 71 and name CA) (resid 71 and name C) 1.0 60.0 35.0 2
!S72 (TALOS: Phi -62.0 +/- 7.2 , TALOS: Psi -34.6 +/- 10.2 )
!Loosened bounds to 30
assign (resid 71 and name C) (resid 72 and name N)
(resid 72 and name CA) (resid 72 and name C) 1.0 -62.0 30.0 2
assign (resid 72 and name N) (resid 72 and name CA)
(resid 72 and name C) (resid 73 and name N) 1.0 -34.6 30.7 2
!H73 (from xtal)
assign (resid 72 and name C) (resid 73 and name N)
(resid 73 and name CA) (resid 73 and name C) 1.0 -60.0 50.0 2
!W74 (TALOS: Phi -121.1 +/- 30.6 , TALOS: Psi 163.5 +/- 16.1 )
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 -121.1 91.8 2
!I75 (TALOS: Phi -97.0 +/- 21.0 , TALOS: Psi 137.0 +/- 10.0 )
assign (resid 74 and name C) (resid 75 and name N)
(resid 75 and name CA) (resid 75 and name C) 1.0 -97.0 63.0 2
assign (resid 75 and name N) (resid 75 and name CA)
(resid 75 and name C) (resid 76 and name N) 1.0 137.0 30.0 2
!T76 (set to -80 (40)) & -20(40)
assign (resid 75 and name C) (resid 76 and name N)
(resid 76 and name CA) (resid 76 and name C) 1.0 -80.0 40.0 2
assign (resid 76 and name N) (resid 76 and name CA)
(resid 76 and name C) (resid 77 and name N) 1.0 -20.0 40.0 2
!M78 (TALOS: Phi -142.4 +/- 12.8 , TALOS: Psi 145.9 +/- 13.2 )
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1.0 -142.4 38.4 2
assign (resid 78 and name N) (resid 78 and name CA)
(resid 78 and name C) (resid 79 and name N) 1.0 145.9 39.6 2
!S79 (TALOS: Phi -130.8 +/- 19.6 , TALOS: Psi 141.9 +/- 15.6 )
assign (resid 78 and name C) (resid 79 and name N)
(resid 79 and name CA) (resid 79 and name C) 1.0 -130.8 58.7 2
assign (resid 79 and name N) (resid 79 and name CA)
(resid 79 and name C) (resid 80 and name N) 1.0 141.9 46.7 2
!I80 (TALOS: Phi -134.9 +/- 13.6 , TALOS: Psi 125.5 +/- 11.5 )
assign (resid 79 and name C) (resid 80 and name N)
(resid 80 and name CA) (resid 80 and name C) 1.0 -134.9 40.7 2
assign (resid 80 and name N) (resid 80 and name CA)
(resid 80 and name C) (resid 81 and name N) 1.0 125.5 34.4 2
!E81 (+ Phi 9/12) (90% converge + xtal)
assign (resid 80 and name C) (resid 81 and name N)
(resid 81 and name CA) (resid 81 and name C) 1.0 60.0 60.0 2
!G82 (+ Phi 9/7)
assign (resid 81 and name C) (resid 82 and name N)
(resid 82 and name CA) (resid 82 and name C) 1.0 60.0 60.0 2
!H83 (TALOS: Phi -94.7 +/- 17.3 , TALOS: Psi 126.6 +/- 23.8 )
!tightened psi (90%converge + xtal)
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1.0 -94.7 51.9 2
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name C) (resid 84 and name N) 1.0 126.6 45.0 2
!K84 (TALOS: Phi -107.0 +/- 29.0 , TALOS: Psi 136.0 +/- 25.0 )
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1.0 -107.0 87.0 2
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name C) (resid 85 and name N) 1.0 136.0 75.0 2
!E85 Added by ROB
assign (resid 84 and name C) (resid 85 and name N)
(resid 85 and name CA) (resid 85 and name C) 1.0 -70.0 40.0 2
assign (resid 85 and name N) (resid 85 and name CA)
(resid 85 and name C) (resid 86 and name N) 1.0 120.0 50.0 2
!N86 (TALOS: Phi -119.0 +/- 29.0 , TALOS: Psi 126.0 +/- 23.0 )
!tightened psi (90%converge + xtal)
assign (resid 85 and name C) (resid 86 and name N)
(resid 86 and name CA) (resid 86 and name C) 1.0 -119.0 87.0 2
assign (resid 86 and name N) (resid 86 and name CA)
(resid 86 and name C) (resid 87 and name N) 1.0 126.0 45.0 2
!I87 (TALOS: Phi -88.4 +/- 15.9 , TALOS: Psi 123.4 +/- 7.4 )
assign (resid 86 and name C) (resid 87 and name N)
(resid 87 and name CA) (resid 87 and name C) 1.0 -88.4 47.7 2
assign (resid 87 and name N) (resid 87 and name CA)
(resid 87 and name C) (resid 88 and name N) 1.0 123.4 22.2 2
!I88 (TALOS: Phi -102.0 +/- 11.0 , TALOS: Psi -31.0 +/- 10.0 )
assign (resid 87 and name C) (resid 88 and name N)
(resid 88 and name CA) (resid 88 and name C) 1.0 -102.0 33.0 2
assign (resid 88 and name N) (resid 88 and name CA)
(resid 88 and name C) (resid 89 and name N) 1.0 -31.0 30.0 2
!S89 (TALOS: Phi -150.0 +/- 18.0 , TALOS: Psi 152.0 +/- 19.0 )
assign (resid 88 and name C) (resid 89 and name N)
(resid 89 and name CA) (resid 89 and name C) 1.0 -150.0 54.0 2
assign (resid 89 and name N) (resid 89 and name CA)
(resid 89 and name C) (resid 90 and name N) 1.0 152.0 57.0 2
!K90 (TALOS: Phi -128.0 +/- 20.2 , TALOS: Psi 134.1 +/- 12.9 )
assign (resid 89 and name C) (resid 90 and name N)
(resid 90 and name CA) (resid 90 and name C) 1.0 -128.0 60.5 2
assign (resid 90 and name N) (resid 90 and name CA)
(resid 90 and name C) (resid 91 and name N) 1.0 134.1 38.7 2
!N91 (TALOS: Phi -101.9 +/- 18.9 , TALOS: Psi 120.4 +/- 21.9 )
assign (resid 90 and name C) (resid 91 and name N)
(resid 91 and name CA) (resid 91 and name C) 1.0 -101.9 56.8 2
assign (resid 91 and name N) (resid 91 and name CA)
(resid 91 and name C) (resid 92 and name N) 1.0 120.4 65.6 2
!T92 (TALOS: Phi -61.2 +/- 6.5 , TALOS: Psi -26.8 +/- 10.8 )
assign (resid 91 and name C) (resid 92 and name N)
(resid 92 and name CA) (resid 92 and name C) 1.0 -61.2 20.0 2
assign (resid 92 and name N) (resid 92 and name CA)
(resid 92 and name C) (resid 93 and name N) 1.0 -26.8 32.4 2
!A93 (TALOS: Phi -66.1 +/- 10.2 , TALOS: Psi -30.2 +/- 7.6 )
assign (resid 92 and name C) (resid 93 and name N)
(resid 93 and name CA) (resid 93 and name C) 1.0 -66.1 30.6 2
assign (resid 93 and name N) (resid 93 and name CA)
(resid 93 and name C) (resid 94 and name N) 1.0 -30.2 22.8 2
!K94 (TALOS: Phi -97.8 +/- 12.4 , TALOS: Psi -1.0 +/- 10.2 )
assign (resid 93 and name C) (resid 94 and name N)
(resid 94 and name CA) (resid 94 and name C) 1.0 -97.8 37.1 2
assign (resid 94 and name N) (resid 94 and name CA)
(resid 94 and name C) (resid 95 and name N) 1.0 -1.0 30.5 2
!D95 (+Phi 9/7)
assign (resid 94 and name C) (resid 95 and name N)
(resid 95 and name CA) (resid 95 and name C) 1.0 60.0 50.0 2
!E96 (TALOS: Phi -133.9 +/- 14.3 , TALOS: Psi 154.8 +/- 12.9 )
assign (resid 95 and name C) (resid 96 and name N)
(resid 96 and name CA) (resid 96 and name C) 1.0 -133.9 42.9 2
assign (resid 96 and name N) (resid 96 and name CA)
(resid 96 and name C) (resid 97 and name N) 1.0 154.8 38.8 2
!R97 (TALOS: Phi -145.0 +/- 14.7 , TALOS: Psi 140.7 +/- 17.6 )
assign (resid 96 and name C) (resid 97 and name N)
(resid 97 and name CA) (resid 97 and name C) 1.0 -145.0 44.0 2
assign (resid 97 and name N) (resid 97 and name CA)
(resid 97 and name C) (resid 98 and name N) 1.0 140.7 52.9 2
!T98 (TALOS: Phi -116.5 +/- 16.6 , TALOS: Psi 129.9 +/- 9.8 )
assign (resid 97 and name C) (resid 98 and name N)
(resid 98 and name CA) (resid 98 and name C) 1.0 -116.5 49.8 2
assign (resid 98 and name N) (resid 98 and name CA)
(resid 98 and name C) (resid 99 and name N) 1.0 129.9 29.4 2
!S99 (TALOS: Phi -127.0 +/- 12.6 , TALOS: Psi 134.7 +/- 10.5 )
assign (resid 98 and name C) (resid 99 and name N)
(resid 99 and name CA) (resid 99 and name C) 1.0 -127.0 37.8 2
assign (resid 99 and name N) (resid 99 and name CA)
(resid 99 and name C) (resid 100 and name N) 1.0 134.7 31.4 2
!E100 (TALOS: Phi -125.0 +/- 13.9 , TALOS: Psi 140.1 +/- 15.0 )
assign (resid 99 and name C) (resid 100 and name N)
(resid 100 and name CA) (resid 100 and name C) 1.0 -125.0 41.8 2
assign (resid 100 and name N) (resid 100 and name CA)
(resid 100 and name C) (resid 101 and name N) 1.0 140.1 45.1 2
!F101 (TALOS: Phi -127.2 +/- 25.1 , TALOS: Psi 126.2 +/- 9.4 )
assign (resid 100 and name C) (resid 101 and name N)
(resid 101 and name CA) (resid 101 and name C) 1.0 -127.2 75.3 2
assign (resid 101 and name N) (resid 101 and name CA)
(resid 101 and name C) (resid 102 and name N) 1.0 126.2 28.3 2
!E102 (TALOS: Phi -104.0 +/- 18.0 , TALOS: Psi 128.0 +/- 13.0 )
assign (resid 101 and name C) (resid 102 and name N)
(resid 102 and name CA) (resid 102 and name C) 1.0 -104.0 54.0 2
assign (resid 102 and name N) (resid 102 and name CA)
(resid 102 and name C) (resid 103 and name N) 1.0 128.0 39.0 2
!V103 (TALOS: Phi -127.4 +/- 17.9 , TALOS: Psi 160.4 +/- 12.6 )
assign (resid 102 and name C) (resid 103 and name N)
(resid 103 and name CA) (resid 103 and name C) 1.0 -127.4 53.7 2
assign (resid 103 and name N) (resid 103 and name CA)
(resid 103 and name C) (resid 104 and name N) 1.0 160.4 37.9 2
!I110 (TALOS: Phi -120.0 +/- 30.0 , TALOS: Psi 132.0 +/- 8.0 )
assign (resid 109 and name C) (resid 110 and name N)
(resid 110 and name CA) (resid 110 and name C) 1.0 -120.0 90.0 2
assign (resid 110 and name N) (resid 110 and name CA)
(resid 110 and name C) (resid 111 and name N) 1.0 132.0 24.0 2
!D111 (TALOS: Phi -104.0 +/- 25.0 , TALOS: Psi 145.0 +/- 17.0 )
assign (resid 110 and name C) (resid 111 and name N)
(resid 111 and name CA) (resid 111 and name C) 1.0 -104.0 75.0 2
assign (resid 111 and name N) (resid 111 and name CA)
(resid 111 and name C) (resid 112 and name N) 1.0 145.0 51.0 2
!K113 (TALOS: Phi -126.2 +/- 14.7 , TALOS: Psi 143.4 +/- 13.7 )
assign (resid 112 and name C) (resid 113 and name N)
(resid 113 and name CA) (resid 113 and name C) 1.0 -126.2 44.0 2
assign (resid 113 and name N) (resid 113 and name CA)
(resid 113 and name C) (resid 114 and name N) 1.0 143.4 41.1 2
!I114 (TALOS: Phi -140.5 +/- 9.2 , TALOS: Psi 142.7 +/- 10.5 )
assign (resid 113 and name C) (resid 114 and name N)
(resid 114 and name CA) (resid 114 and name C) 1.0 -140.5 27.6 2
assign (resid 114 and name N) (resid 114 and name CA)
(resid 114 and name C) (resid 115 and name N) 1.0 142.7 31.4 2
!D115 (TALOS: Phi -131.9 +/- 16.7 , TALOS: Psi 134.2 +/- 7.8 )
assign (resid 114 and name C) (resid 115 and name N)
(resid 115 and name CA) (resid 115 and name C) 1.0 -131.9 50.1 2
!assign (resid 115 and name N) (resid 115 and name CA)
! (resid 115 and name C) (resid 116 and name N) 1.0 134.2 23.4 2
!V116 (TALOS: Phi -116.3 +/- 11.9 , TALOS: Psi 133.7 +/- 5.5 )
assign (resid 115 and name C) (resid 116 and name N)
(resid 116 and name CA) (resid 116 and name C) 1.0 -116.3 35.8 2
assign (resid 116 and name N) (resid 116 and name CA)
(resid 116 and name C) (resid 117 and name N) 1.0 133.7 20.0 2
!Y117 (TALOS: Phi -122.5 +/- 16.6 , TALOS: Psi 125.2 +/- 8.6 )
assign (resid 116 and name C) (resid 117 and name N)
(resid 117 and name CA) (resid 117 and name C) 1.0 -122.5 49.8 2
assign (resid 117 and name N) (resid 117 and name CA)
(resid 117 and name C) (resid 118 and name N) 1.0 125.2 25.7 2
!I118 (TALOS: Phi -110.4 +/- 17.0 , TALOS: Psi 123.0 +/- 9.8 )
assign (resid 117 and name C) (resid 118 and name N)
(resid 118 and name CA) (resid 118 and name C) 1.0 -110.4 51.1 2
assign (resid 118 and name N) (resid 118 and name CA)
(resid 118 and name C) (resid 119 and name N) 1.0 123.0 29.5 2
!D119 (TALOS: Phi -107.8 +/- 18.7 , TALOS: Psi 135.1 +/- 13.1 )
assign (resid 118 and name C) (resid 119 and name N)
(resid 119 and name CA) (resid 119 and name C) 1.0 -107.8 56.0 2
assign (resid 119 and name N) (resid 119 and name CA)
(resid 119 and name C) (resid 120 and name N) 1.0 135.1 39.3 2
!E120 (TALOS: Phi -133.3 +/- 19.5 , TALOS: Psi 152.5 +/- 22.8 )
assign (resid 119 and name C) (resid 120 and name N)
(resid 120 and name CA) (resid 120 and name C) 1.0 -133.3 58.4 2
assign (resid 120 and name N) (resid 120 and name CA)
(resid 120 and name C) (resid 121 and name N) 1.0 152.5 68.3 2
!K121 (TALOS: Phi -87.0 +/- 20.7 , TALOS: Psi 123.6 +/- 19.9 )
assign (resid 120 and name C) (resid 121 and name N)
(resid 121 and name CA) (resid 121 and name C) 1.0 -87.0 62.1 2
assign (resid 121 and name N) (resid 121 and name CA)
(resid 121 and name C) (resid 122 and name N) 1.0 123.6 59.8 2
!V122 (TALOS: Phi -115.2 +/- 13.6 , TALOS: Psi 124.1 +/- 11.2 )
assign (resid 121 and name C) (resid 122 and name N)
(resid 122 and name CA) (resid 122 and name C) 1.0 -115.2 40.7 2
assign (resid 122 and name N) (resid 122 and name CA)
(resid 122 and name C) (resid 123 and name N) 1.0 124.1 33.5 2
!N123 (TALOS: Phi 51.0 +/- 4.1 , TALOS: Psi 45.0 +/- 3.4 )
assign (resid 122 and name C) (resid 123 and name N)
(resid 123 and name CA) (resid 123 and name C) 1.0 51.0 20.0 2
assign (resid 123 and name N) (resid 123 and name CA)
(resid 123 and name C) (resid 124 and name N) 1.0 45.0 20.0 2
!K125 (TALOS: Phi -117.3 +/- 21.9 , TALOS: Psi 138.1 +/- 19.2 )
assign (resid 124 and name C) (resid 125 and name N)
(resid 125 and name CA) (resid 125 and name C) 1.0 -117.3 65.7 2
assign (resid 125 and name N) (resid 125 and name CA)
(resid 125 and name C) (resid 126 and name N) 1.0 138.1 57.7 2
!P126 (TALOS: Phi -67.7 +/- 12.3 , TALOS: Psi 133.2 +/- 8.8 )
assign (resid 125 and name C) (resid 126 and name N)
(resid 126 and name CA) (resid 126 and name C) 1.0 -67.7 37.0 2
assign (resid 126 and name N) (resid 126 and name CA)
(resid 126 and name C) (resid 127 and name N) 1.0 133.2 26.3 2
!F127 (TALOS: Phi -124.5 +/- 13.7 , TALOS: Psi 129.8 +/- 13.8 )
assign (resid 126 and name C) (resid 127 and name N)
(resid 127 and name CA) (resid 127 and name C) 1.0 -124.5 41.0 2
assign (resid 127 and name N) (resid 127 and name CA)
(resid 127 and name C) (resid 128 and name N) 1.0 129.8 41.3 2
!K128 (TALOS: Phi -108.5 +/- 11.6 , TALOS: Psi 120.8 +/- 7.2 )
assign (resid 127 and name C) (resid 128 and name N)
(resid 128 and name CA) (resid 128 and name C) 1.0 -108.5 34.9 2
assign (resid 128 and name N) (resid 128 and name CA)
(resid 128 and name C) (resid 129 and name N) 1.0 120.8 21.7 2
!Y129 (TALOS: Phi -107.0 +/- 29.0 , TALOS: Psi 134.0 +/- 6.0 )
assign (resid 128 and name C) (resid 129 and name N)
(resid 129 and name CA) (resid 129 and name C) 1.0 -107.0 87.0 2
assign (resid 129 and name N) (resid 129 and name CA)
(resid 129 and name C) (resid 130 and name N) 1.0 134.0 20.0 2
!D130 (TALOS: Phi -119.4 +/- 26.7 , TALOS: Psi 136.3 +/- 28.1 )
assign (resid 129 and name C) (resid 130 and name N)
(resid 130 and name CA) (resid 130 and name C) 1.0 -119.4 80.0 2
assign (resid 130 and name N) (resid 130 and name CA)
(resid 130 and name C) (resid 131 and name N) 1.0 136.3 84.2 2
!H131 (TALOS: Phi -116.0 +/- 18.0 , TALOS: Psi 145.0 +/- 17.0 )
!assign (resid 130 and name C) (resid 131 and name N)
! (resid 131 and name CA) (resid 131 and name C) 1.0 -116.0 54.0 2
!assign (resid 131 and name N) (resid 131 and name CA)
! (resid 131 and name C) (resid 132 and name N) 1.0 145.0 51.0 2
!H132 (TALOS: Phi -117.9 +/- 10.7 , TALOS: Psi 128.4 +/- 14.1 )
assign (resid 131 and name C) (resid 132 and name N)
(resid 132 and name CA) (resid 132 and name C) 1.0 -117.9 32.0 2
assign (resid 132 and name N) (resid 132 and name CA)
(resid 132 and name C) (resid 133 and name N) 1.0 128.4 42.3 2
!Y133 (TALOS: Phi -123.8 +/- 18.9 , TALOS: Psi 147.6 +/- 10.9 )
assign (resid 132 and name C) (resid 133 and name N)
(resid 133 and name CA) (resid 133 and name C) 1.0 -123.8 56.7 2
assign (resid 133 and name N) (resid 133 and name CA)
(resid 133 and name C) (resid 134 and name N) 1.0 147.6 32.7 2
!N134 (TALOS: Phi -109.0 +/- 26.0 , TALOS: Psi 144.0 +/- 15.0 )
assign (resid 133 and name C) (resid 134 and name N)
(resid 134 and name CA) (resid 134 and name C) 1.0 -109.0 78.0 2
assign (resid 134 and name N) (resid 134 and name CA)
(resid 134 and name C) (resid 135 and name N) 1.0 144.0 45.0 2
!I135 (TALOS: Phi -143.3 +/- 13.1 , TALOS: Psi 146.8 +/- 10.5 )
assign (resid 134 and name C) (resid 135 and name N)
(resid 135 and name CA) (resid 135 and name C) 1.0 -143.3 39.2 2
assign (resid 135 and name N) (resid 135 and name CA)
(resid 135 and name C) (resid 136 and name N) 1.0 146.8 31.6 2
!T136 (TALOS: Phi -135.9 +/- 13.6 , TALOS: Psi 129.5 +/- 10.4 )
assign (resid 135 and name C) (resid 136 and name N)
(resid 136 and name CA) (resid 136 and name C) 1.0 -135.9 40.9 2
assign (resid 136 and name N) (resid 136 and name CA)
(resid 136 and name C) (resid 137 and name N) 1.0 129.5 31.3 2
!Y137 (TALOS: Phi -104.8 +/- 21.6 , TALOS: Psi 134.2 +/- 12.7 )
assign (resid 136 and name C) (resid 137 and name N)
(resid 137 and name CA) (resid 137 and name C) 1.0 -104.8 64.7 2
assign (resid 137 and name N) (resid 137 and name CA)
(resid 137 and name C) (resid 138 and name N) 1.0 134.2 38.2 2
!K138 (TALOS: Phi -111.9 +/- 24.3 , TALOS: Psi 129.3 +/- 21.0 )
assign (resid 137 and name C) (resid 138 and name N)
(resid 138 and name CA) (resid 138 and name C) 1.0 -111.9 72.9 2
assign (resid 138 and name N) (resid 138 and name CA)
(resid 138 and name C) (resid 139 and name N) 1.0 129.3 63.0 2
!F139 (TALOS: Phi -110.3 +/- 15.5 , TALOS: Psi 121.7 +/- 12.2 )
assign (resid 138 and name C) (resid 139 and name N)
(resid 139 and name CA) (resid 139 and name C) 1.0 -110.3 46.6 2
assign (resid 139 and name N) (resid 139 and name CA)
(resid 139 and name C) (resid 140 and name N) 1.0 121.7 36.7 2
!N140 (TALOS: Phi -103.9 +/- 22.9 , TALOS: Psi 139.5 +/- 24.1 )
assign (resid 139 and name C) (resid 140 and name N)
(resid 140 and name CA) (resid 140 and name C) 1.0 -103.9 68.7 2
assign (resid 140 and name N) (resid 140 and name CA)
(resid 140 and name C) (resid 141 and name N) 1.0 139.5 72.2 2
!T143 (-Phi)
assign (resid 142 and name C) (resid 143 and name N)
(resid 143 and name CA) (resid 143 and name C) 1.0 -120.0 50.0 2
!!!CHI ROTAMER 050707
!Y36
assign (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name CB) (resid 36 and name CG) 1.0 -60.0 30.0 2
!D48
assign (resid 48 and name N) (resid 48 and name CA)
(resid 48 and name CB) (resid 48 and name CG) 1.0 -60.0 30.0 2
!K58
assign (resid 58 and name N) (resid 58 and name CA)
(resid 58 and name CB) (resid 58 and name CG) 1.0 -60.0 30.0 2
!K62
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name CB) (resid 62 and name CG) 1.0 60.0 30.0 2
!L63
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name CB) (resid 63 and name CG) 1.0 60.0 30.0 2
!Q66
assign (resid 66 and name N) (resid 66 and name CA)
(resid 66 and name CB) (resid 66 and name CG) 1.0 60.0 30.0 2
!H83
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name CB) (resid 83 and name CG) 1.0 60.0 30.0 2
!K90
assign (resid 90 and name N) (resid 90 and name CA)
(resid 90 and name CB) (resid 90 and name CG) 1.0 180.0 30.0 2
!E96
assign (resid 96 and name N) (resid 96 and name CA)
(resid 96 and name CB) (resid 96 and name CG) 1.0 -60.0 30.0 2
!S99
assign (resid 99 and name N) (resid 99 and name CA)
(resid 99 and name CB) (resid 99 and name og) 1.0 60.0 30.0 2
!F101
assign (resid 101 and name N) (resid 101 and name CA)
(resid 101 and name CB) (resid 101 and name CG) 1.0 -60.0 30.0 2
!K105 (removed 0705)
!assign (resid 105 and name N) (resid 105 and name CA)
! (resid 105 and name CB) (resid 105 and name CG) 1.0 60.0 30.0 2
!L106
assign (resid 106 and name N) (resid 106 and name CA)
(resid 106 and name CB) (resid 106 and name CG) 1.0 60.0 30.0 2
!D111
assign (resid 111 and name N) (resid 111 and name CA)
(resid 111 and name CB) (resid 111 and name CG) 1.0 -60.0 30.0 2
!K113
assign (resid 113 and name N) (resid 113 and name CA)
(resid 113 and name CB) (resid 113 and name CG) 1.0 -60.0 30.0 2
!D119
assign (resid 119 and name N) (resid 119 and name CA)
(resid 119 and name CB) (resid 119 and name CG) 1.0 60.0 30.0 2
!E120
assign (resid 120 and name N) (resid 120 and name CA)
(resid 120 and name CB) (resid 120 and name CG) 1.0 60.0 30.0 2
!Y129 Ligand for heme artificial restraint (0607)
assign (resid 129 and name N) (resid 129 and name CA)
(resid 129 and name CB) (resid 129 and name CG) 1.0 -180.0 30.0 2
!Y133
assign (resid 133 and name N) (resid 133 and name CA)
(resid 133 and name CB) (resid 133 and name CG) 1.0 -60.0 30.0 2
!N134
assign (resid 134 and name N) (resid 134 and name CA)
(resid 134 and name CB) (resid 134 and name CG) 1.0 60.0 30.0 2
!!Y137
assign (resid 137 and name N) (resid 137 and name CA)
(resid 137 and name CB) (resid 137 and name CG) 1.0 0.0 90.0 2
!F139
assign (resid 139 and name N) (resid 139 and name CA)
(resid 139 and name CB) (resid 139 and name CG) 1.0 -60.0 30.0 2
!N140
assign (resid 140 and name N) (resid 140 and name CA)
(resid 140 and name CB) (resid 140 and name CG) 1.0 -60.0 30.0 2
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:27:18 PM GMT (wattos1)